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Succinic acid, 3,5-dimethylphenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3,5-dimethylphenyl pentafluorobenzyl ester
SpectraBase Compound ID 25mSfE2pK5W
InChI InChI=1S/C19H15F5O4/c1-9-5-10(2)7-11(6-9)28-14(26)4-3-13(25)27-8-12-15(20)17(22)19(24)18(23)16(12)21/h5-7H,3-4,8H2,1-2H3
InChIKey CUMMRWWEDFRGDN-UHFFFAOYSA-N
Mol Weight 402.32 g/mol
Molecular Formula C19H15F5O4
Exact Mass 402.08905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oCV4VBYyF
Name Succinic acid, 3,5-dimethylphenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.089049774 u
Formula C19H15F5O4
InChI InChI=1S/C19H15F5O4/c1-9-5-10(2)7-11(6-9)28-14(26)4-3-13(25)27-8-12-15(20)17(22)19(24)18(23)16(12)21/h5-7H,3-4,8H2,1-2H3
InChIKey CUMMRWWEDFRGDN-UHFFFAOYSA-N
Molecular Weight 402.317 g/mol
SMILES CC1=CC(=CC(=C1)OC(CCC(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C